Geometry & MOs

Info

ID:

377264

PubChem CID:

134223310

Reduced:

ON2H19C32 (2)

Stoich.:

AB2C19D32 (2)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

251.0

Dipole, Da:

3.65

IP(EA), eV:

 -8.04(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC=C1)C1=C4C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations